chempirical

4-Fluoroaniline

C6H6FNCAS 371-40-4111.12 g/mol

Open in Covalent MOL file
H2NF
Aryl halidePrimary amine

Properties

Molecular formula
C6H6FN
Molar mass
111.12 g/mol
Exact mass
111.0484 Da
Density
1.1725 g/mL (at 20 °C)
Melting point
−1.9 °C
Boiling point
188 °C
logP
1.41Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
371-40-4
SMILES
Nc1ccc(F)cc1
InChIKey
KRZCOLNOCZKSDF-UHFFFAOYSA-N
InChI
InChI=1S/C6H6FN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

9 names
  • Benzenamine, 4-fluoro-
  • Aniline, p-fluoro-
  • 4-Fluorobenzenamine
  • p-Fluoroaniline
  • p-Fluorophenylamine
  • 1-Amino-4-fluorobenzene
  • 4-Fluorophenylamine
  • NSC 579
  • 4-Fluoro-1-benzenamine

Work with 4-Fluoroaniline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4′-Fluoro[1,1′-biphenyl]-4-amine324-93-683 % similar P-Phenylenediamine106-50-360 % similar 1,4-Difluorobenzene540-36-360 % similar 4'-Fluoro(1,1'-biphenyl)-3-amine10540-45-150 % similar 3,5-Difluoroaniline372-39-450 % similar 1,4-Diaminobenzene dihydrochloride624-18-050 % similar Benzidine92-87-550 % similar 4,4′-Ethylenedianiline621-95-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluoro-3-methylpyridine2369-18-8 2-Fluoro-5-methylpyridine2369-19-9 2-Fluoroaniline348-54-9 3-Fluoroaniline372-19-0 2-Fluoro-6-methylpyridine407-22-7 2-Fluoro-4-methylpyridine461-87-0

Elsewhere

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